MMsINC Database Search


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MMsINC code: MMs02365761

Type: Neutral
Formula: C₇H₇ClO₂

SMILES:

ClCc1cc(O)c(O)cc1

InChI:

InChI=1/C7H7ClO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.7005 kcal/mol

Physical Properties
Molecular Weight: 158.584 g/mol	logS: -1.39982	SlogP: 2.103	Reactive groups: 1

Topological Properties
Globularity: 0.0553906	Sterimol/B1: 2.23211	Sterimol/B2: 2.70672	Sterimol/B3: 3.52208
Sterimol/B4: 4.99788	Sterimol/L: 10.1445

Surface and Volume Properties
Accessible surface: 327.451	Positive charged surface: 172.001	Negative charged surface: 155.45	Volume: 137.875
Hydrophobic surface: 151.18	Hydrophilic surface: 176.271

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.